SCHEMBL9575368

SCHEMBL9575368

CC(C)OCC(COCc1ccccc1)OCOC(COCc1ccccc1)COC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
TACR1 P25103 5/20 0.42
HTT P42858 3/20 0.41
HPGD P15428 1/20 0.40
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
SLC1A1 P43005 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9575541 0.89 TSHR (0.56) KMT2ATSHRCA1CA2CA7
SCHEMBL9575379 0.87 TSHR (0.41) KMT2ATSHRCA1CA2CA7
SCHEMBL9019803 0.86 ALDH1A1 (0.50) KMT2ACA1CA2CA7CA9
SCHEMBL9575553 0.85 TSHR (0.47) KMT2ATSHRCA1CA2CA7
SCHEMBL9575373 0.85 TSHR (0.47) KMT2ATSHRCA1CA2CA7
SCHEMBL9575380 0.82 CA1 (0.46) KMT2ATSHRCA1CA2CA7
SCHEMBL9575526 0.80 TSHR (0.45) KMT2ATSHRCA1CA2CA7
SCHEMBL4535810 0.80 TSHR (0.58) KMT2ATSHRCA1CA2CA7
SCHEMBL9575742 0.79 TSHR (0.48) KMT2ATSHRCA1CA2CA7
SCHEMBL16183150 0.79 KMT2A (0.51) KMT2ATSHRCA1CA2CA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225550-A PROCESS FOR THE PREPARATION OF SUBSTITUTED ACYCLIC NUCLEOSIDES, AND INTERMEDIATES OCCURRING THEREIN HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0464511-A2 Process for the preparation of acyclic, substituted nucleosides and its intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-08 EP disclosed